MetaNetX
Automated Model Construction and Genome Annotation for Large-Scale Metabolic Networks

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pentamidine

	Properties	Image
MNX_ID	MNXM159523
reference	chebi:45081
formula	C₁₉H₂₄N₄O₂
global charge	0
mol weight	340.427
InChIKey	XDRYMKDFEDOLFX-UHFFFAOYSA-N
InChI	InChI=1S/C19H24N4O2/c20-18(21)14-4-8-16(9-5-14)24-12-2-1-3-13-25-17-10-6-15(7-11-17)19(22)23/h4-11H,1-3,12-13H2,(H3,20,21)(H3,22,23)
SMILES	N=C(N)C1=CC=C(OCCCCCOC2=CC=C(C(=N)N)C=C2)C=C1

MNX internals

InChI (mnx)	InChI=1/C19H24N4O2/c20-18(21)14-4-8-16(9-5-14)24-12-2-1-3-13-25-17-10-6-15(7-11-17)19(22)23/h4-11H,1-3,12-13H2,(H3,20,21)(H3,22,23)
SMILES (mnx)	[CH2:1]([CH2:2][CH2:12][O:24][C:16]1=[CH:9][CH:5]=[C:14]([C:18]([NH2:20])=[NH:21])[CH:4]=[CH:8]1)[CH2:3][CH2:13][O:25][C:17]1=[CH:11][CH:7]=[C:15]([C:19]([NH2:22])=[NH:23])[CH:6]=[CH:10]1

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	0
in models (compartimentalized)	0

Similar chemical compounds in external resources
Identifier	Description
CHEBI:45081 chebi:45081 XDRYMKDFEDOLFX-UHFFFAOYSA-N	pentamidine 1,5-bis(4-amidinophenoxy)pentane 4,4'-(1,5-pentanediylbis(oxy))bis-benzenecarboximidamide 4,4'-(pentamethylenedioxy)dibenzamidine 4,4'-Diamidinodiphenoxypentane 4,4'-[pentane-1,5-diylbis(oxy)]dibenzenecarboximidamide Pentamidine p,p'-(pentamethylenedioxy)dibenzamidine pentamidin
kegg.compound:C07420 keggC:C07420 XDRYMKDFEDOLFX-UHFFFAOYSA-N	Pentamidine
kegg.drug:D08333 keggD:D08333 XDRYMKDFEDOLFX-UHFFFAOYSA-N	Pentamidine (INN) Lomidine (TN)
hmdb:HMDB0014876 XDRYMKDFEDOLFX-UHFFFAOYSA-N	Pentamidine 1,3-Bis(4-amidinophenoxy)pentane 1,5-Bis(4-amidinophenoxy)pentane 4, 4'-Diamidinodiphenoxypentane 4,4'-(1,5-Pentanediylbis(oxy))bis-benzenecarboximidamide 4,4'-(Pentamethylenedioxy)dibenzamidine 4,4'-Diamidinodiphenoxypentane 4-{[5-(4-carbamimidoylphenoxy)pentyl]oxy}benzene-1-carboximidamide American pharmaceutical partners brand 1 OF pentamidine isethionate American pharmaceutical partners brand 2 OF pentamidine isethionate Aventis brand OF pentamidine isethionate Diamidine GlaxoSmithKline brand OF pentamidine isethionate JHC Brand OF pentamidine isethionate Lomidine NebuPent PNT Pentacarinat Pentam Pentamide Pentamidin Pentamidine isethionate Pentamidine mesylate Rhone-poulenc rorer brand OF pentamidine isethionate Sicor brand OF pentamidine isethionate p,P'-(pentamethylenedioxy)dibenzamidine pentamidine
seed.compound:cpd04603 seedM:cpd04603 XDRYMKDFEDOLFX-UHFFFAOYSA-P	Pentamidine pentamidine
metacyc.compound:CPD-20897 metacycM:CPD-20897 XDRYMKDFEDOLFX-UHFFFAOYSA-N	pentamidine
CHEBI:64383 chebi:64383 XDRYMKDFEDOLFX-UHFFFAOYSA-P	pentamidinium(2+) [pentane-1,5-diylbis(oxy-4,1-phenylene)]bis(aminomethaniminium) pentamidine dication pentamidine(2+) pentamidinium cation pentamidinium dication
hmdb:HMDB14876 chebi:45077 chebi:7976 keggC:M_C07420 keggD:M_D08333 seedM:M_cpd04603	secondary/obsolete/fantasy identifier